Study : bsu31350 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: F6P_C_3(1HOX) / Model_19(1HOX/A) = [3.2] Download702.6014.55MTHVRFDYSKALTFFNEHELTYLRDFVKTAHHNIHEKTGAGSDFLGWVDLPEHYDKEEFARIKKSAEKIKSDSDVLLVVGIGGSYLGARAAIEALNHAFYNTLPKAKRGNPQVIFIGNNISSSYMRDVMDLLEDVDFSINVISKSGTTTEPAIAFRIFRKLLEEKYGKEEAKARIYATTDKERGALKTLSNEEGFESFVIPDDVGGRYSVLTAVGLLPIAVSGVNIDDMMKGALDASKDFATSELEDNPAYQYAVVRNVLYNKGKTIEMLINYEPALQYFAEWWKQLFGESEGKDEKGIYPSSANYSTDLHSLGQYVQEGRRDLFETVLNVEKPKHELTIEEADNDLDGLNYLAGKTVDFVNKKAFQGTMLAHTDGNVPNLIVNIPELNAYTFGYLVYFFEKACAMSGYLLGVNPFDQPGVEAYKVNMFALLGKPGFEEKKAELEKRLED
Complex: PA5_C_3(1G98) / Model_18(1G98/A) = [3.7] Download588.1813.95MTHVRFDYSKALTFFNEHELTYLRDFVKTAHHNIHEKTGAGSDFLGWVDLPEHYDKEEFARIKKSAEKIKSDSDVLLVVGIGGSYLGARAAIEALNHAFYNTLPKAKRGNPQVIFIGNNISSSYMRDVMDLLEDVDFSINVISKSGTTTEPAIAFRIFRKLLEEKYGKEEAKARIYATTDKERGALKTLSNEEGFESFVIPDDVGGRYSVLTAVGLLPIAVSGVNIDDMMKGALDASKDFATSELEDNPAYQYAVVRNVLYNKGKTIEMLINYEPALQYFAEWWKQLFGESEGKDEKGIYPSSANYSTDLHSLGQYVQEGRRDLFETVLNVEKPKHELTIEEADNDLDGLNYLAGKTVDFVNKKAFQGTMLAHTDGNVPNLIVNIPELNAYTFGYLVYFFEKACAMSGYLLGVNPFDQPGVEAYKVNMFALLGKPGFEEKKAELEKRLED
Complex: F6P_A_2(3M5P) / Model_17(3M5P/A) = [3.7] Download878.2010.21MTHVRFDYSKALTFFNEHELTYLRDFVKTAHHNIHEKTGAGSDFLGWVDLPEHYDKEEFARIKKSAEKIKSDSDVLLVVGIGGSYLGARAAIEALNHAFYNTLPKAKRGNPQVIFIGNNISSSYMRDVMDLLEDVDFSINVISKSGTTTEPAIAFRIFRKLLEEKYGKEEAKARIYATTDKERGALKTLSNEEGFESFVIPDDVGGRYSVLTAVGLLPIAVSGVNIDDMMKGALDASKDFATSELEDNPAYQYAVVRNVLYNKGKTIEMLINYEPALQYFAEWWKQLFGESEGKDEKGIYPSSANYSTDLHSLGQYVQEGRRDLFETVLNVEKPKHELTIEEADNDLDGLNYLAGKTVDFVNKKAFQGTMLAHTDGNVPNLIVNIPELNAYTFGYLVYFFEKACAMSGYLLGVNPFDQPGVEAYKVNMFALLGKPGFEEKKAELEKRLED
Consensus
[pKd Mean = 3.53]
-722
(s=119)
12
(s=2)
MTHVRFDYSKALTFFNEHELTYLRDFVKTAHHNIHEKTGAGSDFLGWVDLPEHYDKEEFARIKKSAEKIKSDSDVLLVVGIGGSYLGARAAIEALNHAFYNTLPKAKRGNPQVIFIGNNISSSYMRDVMDLLEDVDFSINVISKSGTTTEPAIAFRIFRKLLEEKYGKEEAKARIYATTDKERGALKTLSNEEGFESFVIPDDVGGRYSVLTAVGLLPIAVSGVNIDDMMKGALDASKDFATSELEDNPAYQYAVVRNVLYNKGKTIEMLINYEPALQYFAEWWKQLFGESEGKDEKGIYPSSANYSTDLHSLGQYVQEGRRDLFETVLNVEKPKHELTIEEADNDLDGLNYLAGKTVDFVNKKAFQGTMLAHTDGNVPNLIVNIPELNAYTFGYLVYFFEKACAMSGYLLGVNPFDQPGVEAYKVNMFALLGKPGFEEKKAELEKRLED